![3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene structure](/static/products/775/77541-42-5.png)
3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene
TL;DR: 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene (CAS 77541-42-5) is a chemical compound with molecular formula C19H17NO3S and molecular weight 339.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[2-phenyl-5-(sulfanylmethyl)-3a,6a-dihydro-3H-furo[2,3-d][1,2]oxazol-3-yl]methanone
Also Known As: 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene, {3-benzoyl-2-phenyl-2H,3H,3aH,6aH-furo[2,3-d][1,2]oxazol-5-yl}methanethiol, 2,3,3a,6a-Tetrahydro-2-phenyl-3-benzoylfuro[2,3-d]isoxazole-5-methanethiol, Phenyl[2-phenyl-5- -2,3,3a,6a-tetrahydrofuro[2,3-d]isoxazol-3-yl]methanone, Phenyl[2-phenyl-5-(sulfanylmethyl)-2,3,3a,6a-tetrahydrofuro[2,3-d]isoxazol-3-yl]methanone
| Molecular Formula | C19H17NO3S |
|---|---|
| Molecular Weight | 339.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 39.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.09293 |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 77541-42-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2C3C(C=C(O3)CS)ON2C4=CC=CC=C4 |
| InChIKey | FRTRTHNEYVVPPR-UHFFFAOYSA-N |
Product Overview
3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene (CAS 77541-42-5), with molecular formula C19H17NO3S and molecular weight 339.09 g/mol. IUPAC: phenyl-[2-phenyl-5-(sulfanylmethyl)-3a,6a-dihydro-3H-furo[2,3-d][1,2]oxazol-3-yl]methanone.
Chemical Property Profile of 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene
Property Insights of 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene
The XLogP value of 3.6 indicates that 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.8 Ų, 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene?
The CAS number of 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene is 77541-42-5.
What is the molecular formula of 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene?
The molecular formula of 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene is C19H17NO3S.
What is the molecular weight of 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene?
The molecular weight of 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene is 339.09 g/mol.
Where can I buy 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene?
You can request a quote for 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-4-benzoyl-7-mercaptomethyl-2,6-dioxa-3-azabicyclo[3.3.0]-7-octene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.